64 Lattice="10.0 0.0 0.0 0.0 10.0 0.0 0.0 0.0 10.0" Properties=species:S:1:pos:R:3:forces:R:3 energy=17007.93635690868 stress="-109702.17719062307 -430.2839027083246 16202.359935480403 -430.2839027083246 -22613.075474376135 -3041.455587149656 16202.359935480403 -3041.455587149656 -33051.55534549599" pbc="F F F" Pd 0.74940801 0.30752791 -0.31642541 -94.97051839 -147.47521111 -235.48354463 Pd 1.28858457 1.13914603 1.01668066 102.48137792 141.57594278 223.91147271 Pd 3.32737943 3.16422407 -0.17600232 236.97722682 -1043.99123577 -2966.96254926 Pd 3.22770273 3.60468800 1.07589805 -241.76720323 728.79924000 2679.06695109 Pd 2.14284163 -0.40449031 2.63634365 0.32607191 -1.63862203 0.38161772 Pd 3.72196555 0.98553410 4.05857393 -11.20482211 6.63134542 -12.80306969 Pd 0.18047650 2.25414436 2.47704342 -7.60543684 6.78604796 9.68883143 Pd 1.84478773 4.10841881 3.54044974 -17.38444783 -3.40480932 7.06163720 Pd 5.75161976 -0.29443798 -0.07254516 -0.62811400 -8.53839085 -4.46755550 Pd 5.82701902 1.65243125 0.92564350 12.27436243 -34.55696502 -51.12647045 Pd 7.32858422 2.28527164 -0.18783441 29.48541320 11.45354277 -24.73697199 Pd 8.82281102 3.49343835 1.35705990 3.96226149 -3.12842626 -5.28754527 Pd 7.82806779 0.38328731 2.86496237 -161.69513472 -150.50671965 9.25829178 Pd 9.07231974 1.54633073 2.79887070 161.10422800 149.89311564 -6.21823590 Pd 4.99737498 2.25293903 2.44709878 -42.25730056 33.31460781 78.26982666 Pd 6.85290742 4.03725017 3.23328005 -638.40581198 -512.93031131 217.31871669 Pd 0.54663896 4.69331903 -0.14005128 -2.47398036 -28.63725912 -17.01279458 Pd 0.79046465 6.41428575 0.85322010 -33.73148808 12.62341772 42.39475519 Pd 2.32072669 7.03420959 -0.16965173 38.10919212 15.08380748 -26.89615137 Pd 3.82240481 8.51446371 1.21527782 -0.18206892 0.62498836 0.62459969 Pd 3.24958576 4.78743403 2.15950783 11.18111108 239.39143004 190.85128954 Pd 3.38826127 6.05142378 3.43318028 11.79517292 83.62419374 81.84275003 Pd -0.30600077 8.03361391 2.32481836 -17.23366724 -3.95542128 -7.72211900 Pd 1.44551349 8.60810071 3.32329126 15.97814910 6.57818943 6.69406228 Pd 5.51783976 5.21400959 0.10013664 -166.08595947 -218.09143302 -103.01161482 Pd 6.45211404 6.45604223 0.68992727 -15428.87891272 -3408.05266615 4765.88540754 Pd 7.51466336 6.70245782 0.37128191 15599.59393952 3618.48312230 -4677.30343451 Pd 9.15102107 8.78131582 0.73776203 -0.22813016 -0.59204069 -0.53750357 Pd 7.98866402 4.94658539 2.84421123 627.17230048 504.01310907 -221.33931594 Pd 8.99432102 6.58938839 3.69117951 20.62111373 2.55235907 -4.55409318 Pd 5.68867137 7.27714113 2.47483232 -7.94753961 -0.06683589 12.38185146 Pd 6.21915641 9.20148621 3.54851671 0.43226564 5.42445904 3.45417578 Pd -0.31074228 0.70819957 5.32820090 -4.10118926 -13.29624911 -11.77455143 Pd 1.96318496 0.92211023 5.88486502 -2703.51758758 10522.65522938 -14742.74245146 Pd 2.64174341 2.78968202 5.16422971 6.51105614 12.73196990 2.17053321 Pd 3.91668165 4.51270100 6.50315951 118.58870650 -36.87519458 -41.19495257 Pd 2.12915611 0.27458206 6.79127277 2699.92236753 -10536.40763018 14749.45551305 Pd 3.61589263 0.87805672 8.79915896 0.03444587 0.33558005 -0.51104371 Pd -0.25762332 2.33638498 6.67558019 1.56119929 13.08118885 11.27032370 Pd 1.27975648 4.26338459 9.12436255 -0.72595724 -1.69341897 2.04414589 Pd 4.99358753 -0.03547836 5.35033530 4.95674819 -23.09772929 3.91188644 Pd 5.96221967 1.49648338 6.43398983 20412.66638322 -18784.72933247 -19875.68290885 Pd 7.92645127 2.27221531 5.67449501 -22.64920984 -26.81230107 -48.42260962 Pd 8.83195159 3.19719748 7.07244007 30.21790036 61.10435712 9.71941462 Pd 7.85839187 0.23684355 8.04788988 -53.58842621 -76.13934000 -15.45700690 Pd 8.89365773 1.72867814 8.32613647 54.92470963 36.92489638 47.99596560 Pd 5.32746301 2.08097685 7.05248264 -20410.73540813 18795.07988112 19888.32825769 Pd 6.42222807 3.95671978 8.79260695 0.33379118 0.10808446 -0.00527283 Pd 0.23993142 5.48069383 5.05677957 -14.36090171 -17.19506286 -14.55502322 Pd 1.28025744 6.77182927 6.23920287 -96.41135645 -141.48636191 112.38792647 Pd 2.37918478 7.37576042 5.13812636 183.21837699 100.48624071 -177.54515852 Pd 3.89551763 9.11527592 6.95713255 -1.54323451 7.51203080 -5.04141555 Pd 2.31894162 5.02503757 7.08729607 -118.43870975 31.76401174 46.54102803 Pd 3.80357872 7.02909201 7.97994085 -79599.26261946 -9193.34667675 496.46109800 Pd 0.23498635 7.67542196 7.36804934 -167.58392085 -51.29692732 -110.49485225 Pd 0.86294478 8.49287708 8.70744333 90.35587875 117.17427417 191.94661375 Pd 5.84053743 4.12039803 5.42977745 6.86300517 -1.48907156 -1.94540598 Pd 6.24594662 6.78685623 5.67221255 -46.20772680 -27.10024408 19.52204243 Pd 7.80728941 7.68810273 5.01323966 31.37245396 33.19434901 -10.37387018 Pd 8.86124622 9.05791198 6.51617441 2.03075756 4.02799136 4.35392848 Pd 8.11386892 5.25806643 7.38125838 -59.10278072 -18.04154919 -123.96640631 Pd 8.82389023 5.60459117 8.97233090 54.52701114 26.00393285 123.66959561 Pd 4.77623865 7.14137607 7.97389611 79513.21987073 9103.94723535 -492.07864117 Pd 6.08586215 8.37470284 7.96059104 88.11071619 81.58926489 -1.60996954